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Connector theory for reusing model results to determine materials properties

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npj Computational materials 2022年第1期8卷 923-930页

作者： marco Vanzini Ayoub Aouina martin Panholzer matteo Gatti lucia Reining LSI CNRSCEA/DRF/IRAMISÉcole PolytechniqueInstitut Polytechnique de ParisF-91120PalaiseauFrance Theory and Simulation of materials(THEOS) École Polytechnique Fédérale de LausanneCH-1015LausanneSwitzerland European Theoretical Spectroscopy Facility(ETSF)https://www.etsf.eu Johannes Kepler University Linz LinzAustria Uni Software Plus GmbH Linzer Strasse 64320PergAustria Synchrotron SOLEIL L’Orme des MerisiersSaint-AubinBP 48F-91192Gif-sur-YvetteFrance

The success of Density Functional Theory(DFT)is partly due to that of simple approximations,such as the Local Density Approximation(LDA),which uses results of a model,the homogeneous electron gas,to simulate exchange-correlation effects in real *** turn this intuitive approximation into a general and in principle exact theory by introducing the concept of a connector:a prescription how to use results of a model system in order to simulate a given quantity in a real *** this framework,the LDA can be understood as one particular approximation for a connector that is designed to link the exchange-correlation potentials in the real material to that of the *** the in principle exact connector equations allows us to go beyond the LDA in a systematic ***,connector theory is not bound to DFT,and it suggests approximations also for other functionals and other *** explain why this very general approach is indeed a convenient starting point for *** illustrate our purposes with simple but pertinent examples.

关键词： materials theory exact

Production of carbonaceous material from avocado peel for its application as alternative adsorbent for dyes removal

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Chinese Journal of Chemical Engineering 2016年第4期24卷 521-528页

作者： Carolyn Palma lucia Lloret Antonio Puen maira Tobar Elsa Contreras Departamento de Ingenieria Quimica Ambiental Universidad Tecnica Federico Santa Mafia Vicunia Mackenna 3939 Santiago Chile Departamento de Ingenieria Quimica Universidad de Santiago de Chile Alameda 3363 Santiago Chile

Adsorption processes have received special attention for contaminants removal thanks to their capability to gen- erate effluents with high quality as well as their simple design. In the current work, the agro-waste residue avo- cado peel is proposed to be used as alternative to conventional activated carbons whose use is sometimes restricted to high costs, upgraded by their exhausting after long term operations. The carbonization procedure was optimized and analyzed through factorial design and response surface methodology by evaluating temper- ature （400-900 ℃） and time （30-90 min） effects： optimal conditions were found at 900℃ and 65 min, gener- ating an adsorbent with 87.52 m2.g 1 of BET surface area, a mesopore volume of 74% and a zero point charge at 8.6. The feasibility of the carbonaceous material was proved for the removal of a variety of dyes by investigating substrate （10-50 mg.L 1） and solid （0.5-20 g.L-1） concentration effects and statistical significance： complete removal of Naphthol Blue Black and Reactive Black 5 was reached under optimal conditions （10 mg.L 1 and 20g.L 1 of dye and solid, respectively）, while Basic Blue 41 was eliminated by using 13.4 g. L- 1 of the adsorbent. Overall, dyes removal by adsorption on carbonized avocado peel is presented as a promising technology due to the low cost and easy availability of the precursor, as well as the straightforward generation, the satisfactory char- acteristics and the proved adsorption capacity of the adsorbent.

关键词： Avocado peelCarbonizationOptimizationAdsorptionDyes

Gaining community entry with survivors for forensic human rights and humanitarian intervention

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Forensic Sciences Research 2022年第3期7卷 346-357页

作者： Jaymelee Kim lucia Elgerud Hugh Tullerc Justice Sciences University of FindlayFindlayOHUSA Anthropology University of Tennessee-KnoxvilleKnoxvilleTNUSA Anthropology The University of Tennessee Knoxville College of Arts and SciencesKnoxvilleTNUS

As forensic humanitarian and forensic human rights anthropology has continued to evolve,an ongoing concern in the field is meaningful engagement with survivors and the imperative to do no *** forensic anthropologists attempting to engage in grassroots forensic intervention,unaffiliated with an international investigation,means for effectively accessing and engaging communities has not been widely ***,forensic anthropologists draw on multiple,cross-cultural contexts to discuss methods and techniques for introducing forensic partnerships to *** do this,the scientist must consider their positionality as well as that of the stakeholders,develop effective local relationships,and consider a community-grounded *** paper argues that drawing on broader cultural anthropological training,ultimately informs one’s ability to gain entry into at-risk and vulnerable communities while minimizing *** illustrate this point,examples are drawn from Canada,Uganda,Cyprus,and Somaliland.

关键词： Forensic sciences forensic humanitarian action forensic intervention community entry Forensic anthropology

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色彩高阶搭配成就意式美学

新潮（芭珠甄选） 2024年第1期 21-21页

作者： lucia Silvestri 不详

前段时间,宝格丽在上海举行地中海高级珠宝及高级腕表系列发布盛典,我们见到了宝格丽珠宝创意总监lucia Silvestri。除了创意总监的工作,lucia还亲自负责宝石采购,我们一起聊了聊全新系列背后的故事。

关键词：创意总监采购地中海

Python Supervised Co-simulation for a Day-long Harmonic Evaluation of EV Charging

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Chinese Journal of Electrical Engineering 2021年第4期7卷 15-24页

作者： Lu Wang Zian Qin lucia Beloqui Larumbe Pavol Bauer Department of Electrical Sustainable Energy Delft University of TechnologyDelft 2628 CDNetherlands

To accurately simulate electric vehicle DC fast chargers'(DCFCs')harmonic emission,a small time step,i.e.,typically smaller than 10μs,is required owing to switching ***,in practice,harmonics should be continuously assessed with a long duration,e.g.,a day.A trade-off between accuracy and time efficiency thus *** address this issue,a multi-time scale modeling framework of fast-charging stations(FCSs)is *** the presented framework,the DCFCs'input impedance and harmonic current emission in the ideal grid condition,that is,zero grid impedance and no background harmonic voltage,are obtained based on a converter switching model with a small timescale *** a DCFC's input impedance and harmonic current source are functions of the DCFC's load,the input impedance and harmonic emission at different loads are ***,they are used in the fast-charging charging station modeling,where the DCFCs are simplified as Norton equivalent *** the station level simulation,a large time step,i.e.,one minute,is used because the DCFCs'operating power can be assumed as a constant over a *** this co-simulation,the FCSs'long-term power quality performance can be assessed time-efficiently,without losing much accuracy.

关键词： Power quality harmonic modeling charging infrastructure for electric vehicles(EVs)

Repression of the Auxin Response Pathway Increases Arabidopsis Susceptibility to Necrotrophic Fungi

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molecular Plant 2008年第3期1卷 496-509页

作者： Francisco Llorente Paul m usksktt Andrea Sanchez-Vallet Gemma Lopez Brisa Ramos Clara Sanchez-Rodriguez lucia Jorda Jane Parker Antonio molina Centro de Biotecnologia y Genbmica de Plantas (CBGP) Departamento de Biotecnologia-UPM ETS Ingenieros Agrbnomos Avda Complutense E-28040Madrid Spain Department of Plant-microbe Interactions Max Planck Institute for Plant Breeding Research Carl-von-Linne Weg 10 50829 Cologne Germany

In plants, resistance to necrotrophic pathogens depends on the interplay between different hormone systems, such as those regulated by salicylic acid （SA）, jasmonic acid （JA）, ethylene, and abscisic acid. Repression of auxin signaling by the SA pathway was recently shown to contribute to antibacterial resistance. Here, we demonstrate that Arabidopsis auxin signaling mutants axrl, axr2, and axr6 that have defects in the auxin-stimulated SCF （Skpl-Cullin- F-box） ubiquitination pathway exhibit increased susceptibility to the necrotrophic fungi Plectosphaerella cucumerina and Botrytis cinerea. Also, stabilization of the auxin transcriptional repressor AXR3 that is normally targeted for removal by the SCF-ubiquitin/proteasome machinery occurs upon P. cucumerina infection. Pharmacological inhibition of auxin transport or proteasome function each compromise necrotroph resistance of wild-type plants to a similar extent as in non-treated auxin response mutants. These results suggest that auxin signaling is important for resistance to the necrotro- phic fungi P. cucumerina and B. cinerea. SGTlb （one of two Arabidopsis SGT1 genes encoding HSP90/HSC70 co-chaperones） promotes the functions of SCF E3-ubiquitin ligase complexes in auxin and JA responses and resistance conditioned by certain Resistance （R） genes to biotrophic pathogens. We find that sgtlb mutants are as resistant to P. cucumerina as wild-type plants. Conversely, auxin/SCF signaling mutants are uncompromised in RPP4-triggered resistance to the obligate biotrophic oomycete, Hyaloperonospora parasitica. Thus, the predominant action of SGTlb in R gene-conditioned resis- tance to oomycetes appears to be at a site other than assisting SCF E3-ubiquitin ligases. However, genetic additivity of sgtlb axrl double mutants in susceptibility to H. parasitica suggests that SCF-mediated ubiquitination contributes to lim- iting biotrophic pathogen colonization once plant-pathogen compatibility is established.

关键词： plant defense innate immunity necrotrophic fungi auxin signaling proteasome.

Role of monocytes and macrophages in experimental and human acute liver failure

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World Journal of Gastroenterology 2010年第15期16卷 1811-1819页

作者： lucia A Possamai Charalambos Gustav Antoniades Quentin m Anstee Alberto Quaglia Diego Vergani mark Thursz Julia Wendon Antiviral Centre 10th Floor QEQM building St Mary’s Hospital Imperial College London Institute of Liver Studies King’s College Hospital

Acute liver failure (ALF) is a devastating clinical syndrome characterised by progressive encephalopathy, coagulopathy, and circulatory dysfunction, which commonly leads to multiorgan failure and death. Central to the pathogenesis of ALF is activation of the immune system with mobilisation of cellular effectors and massive production of cytokines. As key components of the innate immune system, monocytes and macrophages are postulated to play a central role in the initiation, progression and resolution of ALF. ALF in humans follows a rapidly progressive clinical course that poses inherent difficulties in delineating the role of these pivotal immune cells. Therefore, a number of experimental models have been used to study the pathogenesis of ALF. Here we consider the evidence from experimental and human studies of ALF on the role of monocytes and macrophages in acute hepatic injury and the ensuing extrahepatic manifestations, including functional monocyte deactivation and multiple organ failure.

关键词： monocyte macrophage Acute liver failure Inflammation monocyte chemoattractant protein-1/ chemokine (C-C motif) receptor-2 Cytokine

Influence of main dietary chemical constituents on the in vitro gas and methane production in diets for dairy cows

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Journal of Animal Science and Biotechnology 2017年第1期8卷 99-106页

作者： Laura maccarana mirko Cattani Franco Tagliapietra lucia Bailoni Stefano Schiavon epartment of Comparative Biomedicine and Food Science (BCA) University of Padova Viale dell'Universita 16 35020 Legnaro (PD) Italy Department of Agronomy Food Natural resources Animals and Environment (DAFNAE) University of Padova Viale dell＇Universita 16 35020 Legnaro (PD) Italy

Background： modification of chemical composition of diets fed to dairy cows might be a good strategy to reduce methane（CH4） production in the rumen. Notable reductions of CH4 production compared to conventional highroughages rations were more frequently observed for very concentrated diets or when fat supplements were used. In these cases, the reduction in the gas emission was mainly a consequence of an overall impairment of rumen function with a reduction of fiber digestibility. These strategies do not always comply with feeding standards used in intensive dairy farms and they are usually not applied owing to the risks of negative health and economic ***, the present study evaluated the effects of seven commercial diets with contents of neutral detergent fiber（NDF）,protein and lipids ranging 325 to 435 g/kg Dm, 115 to 194 g/kg Dm, and 26 to 61 g/kg Dm, respectively, on in vitro degradability, gas（GP）, and CH4 ***： In this experiment, changes in the dietary content of NDF, crude protein（CP） and lipids were always obtained at the expense or in favor of starch. A decreased of the dietary NDF content increased NDF（NDFd） and true Dm（TDmd） degradability, and increased CH4 production per g of incubated Dm（P 〈 0.001）, but not that per g of TDmd. An increase of the dietary CP level did not change in vitro NDFd and TDmd, decreased GP per g of incubated Dm（P 〈 0.001）, but CH4 production per g of TDmd was not affected. An increased dietary lipid content reduced NDFd, TDmd,and GP per g of incubated Dm, but it had no consequence on CH4 production per g of ***： It was concluded that, under commercial conditions, changes in dietary composition would produce small or negligible alterations of CH4 production per unit of TDmd, but greater differences in GP and CH4 production would be expected when these amounts are expressed per unit of Dm intake. The use of TDmd as a standardizing parameter is proposed to account for possible difference in D

关键词： Dairy cows Dietary manipulation Gas production In vitro techniques methane production

Pancreatic resection in very elderly patients:A critical analysis of existing evidence

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World Journal of Gastrointestinal Oncology 2017年第1期9卷 30-36页

作者： Cosimo Sperti lucia moletta Gioia Pozza Department of Surgery Oncology and Gastroenterology3~(rd)Surgical ClinicUniversity of Padua35128 PaduaItaly

The aging of the population results in a rise of number of elderly patients (aged 80 years and older) with pancreatic or periampullary cancer, and more pancreatectomies could eventually be performed in such complex patients. However, early and long-term results after pancreatic resection in octogenarians are still controversial, and may trouble the surgeon when approaching this type of population. Evaluation of reported experiences shows that for almost all Authors, pancreatectomy can be performed safely in elderly population, although overall morbidity and mortality rates were 34.9% and 13.2% respectively, with a mean length of hospital stay of 18 d. These features appear higher in older patients compared to the younger counterpart. Less than 50% of patients underwent adjuvant therapy after operation. Long-term survival is reported not significantly different in aged 80 years and older patients, with a median overall survival time of 17.6 mo. The quality of life after pancreatic resection is only sporadically evaluated but, when considered, it highlights the need of health facility service after operation for these “frail” patients. Prospective studies on the quality of life of pancreatectomized octogenarians are welcome. Proper selection of patients, geriatric assessment with multidisciplinary approach, centralization of pancreatic surgery in high-volume centres and rehabilitation programs after surgery appear to be crucial points in order to improve surgical treatments of pancreatic tumors in very elderly patients.

关键词： Elderly Octogenarian Pancreatectomy Pancreatic neoplasms Survival